CID 122360861

65851-39-0

Structural Information

Molecular Formula
C15H14ClNO7
SMILES
C1=CC2=C(C=CC(=C2N=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl
InChI
InChI=1S/C15H14ClNO7/c16-7-3-4-8(9-6(7)2-1-5-17-9)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-5,10-13,15,18-20H,(H,21,22)/t10-,11-,12+,13-,15+/m0/s1
InChIKey
PAGDKVCRDHCKOY-DKBOKBLXSA-N
Compound name
(2S,3S,4S,5R,6S)-6-(5-chloroquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.04587 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.05315 173.4
[M+Na]+ 378.03509 181.4
[M-H]- 354.03859 175.7
[M+NH4]+ 373.07969 182.9
[M+K]+ 394.00903 178.3
[M+H-H2O]+ 338.04313 166.8
[M+HCOO]- 400.04407 180.5
[M+CH3COO]- 414.05972 204.5
[M+Na-2H]- 376.02054 175.1
[M]+ 355.04532 175.0
[M]- 355.04642 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.